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Our results showed that the partial charges calculated with the Gasteiger method were on average 0.619 times lower than the ones calculated with Mozyme, thus, the QASP parameter was reduced by 0.619.
The calculated FLDs-stress and FLDs-EP from experimental FLDs-strains are compared with the theoretical ones calculated with M-K theory.
The authors discuss the parameters needed in this equation and compare their calibrated values to theoretical ones calculated with analytical plates formulae.
Altogether, the estimates for the conditional covariance implied by the GARCH models seem to be more convincing than the ones calculated with instruments.
Data with non-overlapping intervals (red + symbols) show higher scattering, the ones calculated with overlapping intervals (green ×) show a much lower error.
Therefore, we use 'Registration 2' for calculating the non-rigid displacement and strain fields, by subtracting the displacements obtained with 'Registration 1' from the ones calculated with 'Registration 2'.
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The analytical velocity profile is also compared with the corresponding one calculated with the commercial code Fluent for an idealized two-dimensional configuration.
However, the accuracy is in general one order of magnitude lower than for the Redlich Kister fit and the maximum absolute deviation can be 8 times higher than the one calculated with the proportionality model.
This also means that, in practice, the cell radius will be slightly larger than the one calculated with the proposed algorithms.
In the F-test, when this relationship is judged to be linear, the value y of Equation 4 corresponds to the one calculated with the linear regression line.
where the variables Y, Y ¯, and y are the Sq amplitude, the mean value of the Sq amplitude, and the one calculated with the linear regression line or the second-order least-square fitted curves, respectively.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com